4UHE
Structural studies of a thermophilic esterase from Thermogutta terrifontis (malate bound)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 43.330, 43.330, 227.060 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.520 - 1.160 |
| R-factor | 0.10854 |
| Rwork | 0.107 |
| R-free | 0.14224 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xua |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.834 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.520 | 1.190 |
| High resolution limit [Å] | 1.160 | 1.160 |
| Rmerge | 0.090 | 0.960 |
| Number of reflections | 86054 | |
| <I/σ(I)> | 12.2 | 2.2 |
| Completeness [%] | 98.6 | 95.6 |
| Redundancy | 9.6 | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
